[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride

C15H23ClN2O2 — CID 119597340

IUPAC[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCCC(C)C2CN)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-5-4-8-17(14(11)10-16)15(18)12-6-3-7-13(9-12)19-2;/h3,6-7,9,11,14H,4-5,8,10,16H2,1-2H3;1H
InChIKeyHWQKHLDXCFCUAG-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.32
Rot. Bonds3

About [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride (PubChem CID 119597340) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
PubChem CID119597340
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCCC(C)C2CN)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-5-4-8-17(14(11)10-16)15(18)12-6-3-7-13(9-12)19-2;/h3,6-7,9,11,14H,4-5,8,10,16H2,1-2H3;1H
InChIKeyHWQKHLDXCFCUAG-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride
CID 119597209
3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
CID 119597231
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 102787808
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102783612
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 63767479
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705006
4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
CID 124696949
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride (CID 119597340) is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride is COc1cccc(C(=O)N2CCCC(C)C2CN)c1.Cl.
What is the InChIKey of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride?
The InChIKey is HWQKHLDXCFCUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11-5-4-8-17(14(11)10-16)15(18)12-6-3-7-13(9-12)19-2;/h3,6-7,9,11,14H,4-5,8,10,16H2,1-2H3;1H.
What are the key properties of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride?
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119597340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).